N-ethyl-1-(3-propylphenyl)-2-(thian-4-yl)ethanamine

C18H29NS — CID 105188025

IUPACN-ethyl-1-(3-propylphenyl)-2-(thian-4-yl)ethanamine
SMILESCCCc1cccc(C(CC2CCSCC2)NCC)c1
InChIInChI=1S/C18H29NS/c1-3-6-15-7-5-8-17(13-15)18(19-4-2)14-16-9-11-20-12-10-16/h5,7-8,13,16,18-19H,3-4,6,9-12,14H2,1-2H3
InChIKeyLQQZSAVGMBMMHC-UHFFFAOYSA-N
MW291.50 g/mol
LogP4.82
Rot. Bonds7

About N-ethyl-1-(3-propylphenyl)-2-(thian-4-yl)ethanamine

N-ethyl-1-(3-propylphenyl)-2-(thian-4-yl)ethanamine (PubChem CID 105188025) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is N-ethyl-1-(3-propylphenyl)-2-(thian-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-propylphenyl)-2-(thian-4-yl)ethanamine
PubChem CID105188025
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC NameN-ethyl-1-(3-propylphenyl)-2-(thian-4-yl)ethanamine
SMILESCCCc1cccc(C(CC2CCSCC2)NCC)c1
InChIInChI=1S/C18H29NS/c1-3-6-15-7-5-8-17(13-15)18(19-4-2)14-16-9-11-20-12-10-16/h5,7-8,13,16,18-19H,3-4,6,9-12,14H2,1-2H3
InChIKeyLQQZSAVGMBMMHC-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-ethylphenyl)-2-(thian-4-yl)ethyl]hydrazine
CID 105326402
1-(3,4-dichlorophenyl)-N-ethyl-2-(thian-4-yl)ethanamine
CID 105077128
N-ethyl-2-(oxan-2-yl)-1-(3-propylphenyl)ethanamine
CID 116545086
N-[2-(oxolan-3-yl)-1-(3-propylphenyl)ethyl]propan-1-amine
CID 116545062
2-cyclopentylsulfanyl-N-ethyl-1-(3-propylphenyl)ethanamine
CID 116544464
N-ethyl-2-propan-2-yloxy-1-(3-propylphenyl)ethanamine
CID 105188000
1-(2,3-dimethylphenyl)-N-ethyl-2-(thian-4-yl)ethanamine
CID 105140728
N-[(3-methylcyclopentyl)-(3-propylphenyl)methyl]ethanamine
CID 116544556
2-(1,1-dioxothiolan-3-yl)-N-methyl-1-(3-propylphenyl)ethanamine
CID 105187986
N-[cycloheptyl-(3-propylphenyl)methyl]ethanamine
CID 116544538
N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine
CID 116544896
3-[2-cyclopropyl-1-(ethylamino)ethyl]-N,N-dimethylaniline
CID 105152936

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-propylphenyl)-2-(thian-4-yl)ethanamine?
The IUPAC name of N-ethyl-1-(3-propylphenyl)-2-(thian-4-yl)ethanamine (CID 105188025) is N-ethyl-1-(3-propylphenyl)-2-(thian-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-propylphenyl)-2-(thian-4-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-propylphenyl)-2-(thian-4-yl)ethanamine is CCCc1cccc(C(CC2CCSCC2)NCC)c1.
What is the InChIKey of N-ethyl-1-(3-propylphenyl)-2-(thian-4-yl)ethanamine?
The InChIKey is LQQZSAVGMBMMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-3-6-15-7-5-8-17(13-15)18(19-4-2)14-16-9-11-20-12-10-16/h5,7-8,13,16,18-19H,3-4,6,9-12,14H2,1-2H3.
What are the key properties of N-ethyl-1-(3-propylphenyl)-2-(thian-4-yl)ethanamine?
N-ethyl-1-(3-propylphenyl)-2-(thian-4-yl)ethanamine has a molecular weight of 291.50 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-propylphenyl)-2-(thian-4-yl)ethanamine is sourced from PubChem (CID 105188025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).